Binding information for 2bys_ligand_2_9.mol2(FDBF07437)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bys_ligand_2_9.mol2 | 2bys | 0.952381 | -7.32 | C[C@H]1CCC[C@@H](C)[N@@H+]1C | 9 |
Structure and binding mode of 2bys_ligand_2_9.mol2(FDBF07437)
Important binding residues for 2bys_ligand_2_9.mol2(FDBF07437)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bys | TRP147 | -1.74 | -8.73 | -10.47 | 8.91 | -1.56 |
| 2bys | VAL148 | -0.64 | -0.36 | -1 | 0.30 | -0.70 |
| 2bys | TYR188 | -1.52 | 0.08 | -1.44 | -0.01 | -1.45 |
| 2bys | CYS190 | -0.82 | 0.63 | -0.19 | -0.92 | -1.10 |
| 2bys | TYR195 | -1.58 | -2.67 | -4.25 | 2.32 | -1.93 |
| 2bys | TYR55 | -1.37 | 15.73 | 14.36 | -15.07 | -0.71 |
| 2bys | ILE118 | -1.08 | -1.24 | -2.32 | 1.48 | -0.84 |
